Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4054492 | 0.98 | HTT (0.62) | HTTMEN1KMT2APOLBKDM4E | |
| SCHEMBL4061176 | 0.83 | MAPT (0.52) | HTTMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL4057475 | 0.82 | TBXAS1 (0.55) | HTTMEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL27659527 | 0.82 | HTT (0.47) | HTTMEN1KMT2APOLBKDM4E | |
| SCHEMBL24035608 | 0.81 | MEN1 (0.52) | HTTMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL10194702 | 0.81 | KDM4E (0.52) | HTTMEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL11165443 | 0.81 | MEN1 (0.59) | HTTMEN1KMT2APOLBKDM4E | |
| SCHEMBL11096921 | 0.81 | MEN1 (0.59) | HTTMEN1KMT2APOLBKDM4E | |
| SCHEMBL11175020 | 0.81 | MEN1 (0.59) | HTTMEN1KMT2APOLBKDM4E | |
| SCHEMBL11402474 | 0.80 | MEN1 (0.52) | HTTMEN1KMT2AKDM4EHSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682519-A1 | PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS | Almirall Prodesfarma, S.A. (ES) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005049581-A1 | PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS | ALMIRALL PRODESFARMA, S.A. (ES) | 2005-06-02 | — | — | WO | disclosed |